3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine

C13H26N2O2S2 — CID 66382743

IUPAC3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCC1CCCN1
InChIInChI=1S/C13H26N2O2S2/c1-2-19(16,17)13-11-18-10-9-15(13)8-4-6-12-5-3-7-14-12/h12-14H,2-11H2,1H3
InChIKeyTVVYOJWNMMGZEN-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.33
Rot. Bonds6

About 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine

3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine (PubChem CID 66382743) has the molecular formula C13H26N2O2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine.

Molecular Properties

Compound Name3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine
PubChem CID66382743
Molecular FormulaC13H26N2O2S2
Molecular Weight306.50 g/mol
Exact Mass306.14
IUPAC Name3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCC1CCCN1
InChIInChI=1S/C13H26N2O2S2/c1-2-19(16,17)13-11-18-10-9-15(13)8-4-6-12-5-3-7-14-12/h12-14H,2-11H2,1H3
InChIKeyTVVYOJWNMMGZEN-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
CID 66376027
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]cyclohexanamine
CID 66377931
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylbutan-1-amine
CID 66377349
6-(3-ethylsulfonylthiomorpholin-4-yl)-N-propan-2-ylhexan-1-amine
CID 66378310
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
3-(3-ethylsulfonylthiomorpholin-4-yl)propanamide
CID 66377719
N-[2-(3-ethylsulfonylthiomorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 66375995
1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391134

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine?
The IUPAC name of 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine (CID 66382743) is 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine.
What is the SMILES notation for 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine?
The canonical SMILES for 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine is CCS(=O)(=O)C1CSCCN1CCCC1CCCN1.
What is the InChIKey of 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine?
The InChIKey is TVVYOJWNMMGZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S2/c1-2-19(16,17)13-11-18-10-9-15(13)8-4-6-12-5-3-7-14-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine?
3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine has a molecular weight of 306.50 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine is sourced from PubChem (CID 66382743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).